Geometry & MOs

Info

ID:	67657
PubChem CID:	46506910
Reduced:	FNSO3H22C25 (1)
Stoich.:	ABCD3E22F25 (1)
Weight, g/mol:	435.130443
ΔH_f, kcal/mol:	-96.66
Dipole, Da:	9.27
IP(EA), eV:	-9.21(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(3,5-dimethylphenyl)-7-fluoro-1,1-dioxo-1lambda6,4-benzothiazin-2-yl]-(4-ethylphenyl)methanone

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)C(=O)C2=CN(C3=C(S2(=O)=O)C=C(C=C3)F)C4=CC(=C(C=C4)C)C

DOS

IR

Vibrations